#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:23:14 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290929 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/52/7715296.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7715296
loop_
_publ_author_name
'Sanderson, Hugh J.'
'Kociok-Köhn, Gabriele'
'McMullin, Claire L.'
'Hintermair, Ulrich'
_publ_section_title
;
 Twinned versus linked organometallics - bimetallic "half-baguette"
 pentalenide complexes of Rh(I).
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5881
_journal_page_last               5899
_journal_paper_doi               10.1039/d3dt04325h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C48 H46 Ir2'
_chemical_formula_sum            'C48 H46 Ir2'
_chemical_formula_weight         1007.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-11-20 deposited with the CCDC.	2024-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.209(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4071(2)
_cell_length_b                   18.5544(5)
_cell_length_c                   19.0926(4)
_cell_measurement_reflns_used    17228
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4380
_cell_measurement_theta_min      3.8550
_cell_volume                     3589.19(14)
_computing_cell_refinement       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 SHELXL-2018/3 (Sheldrick, 2018)
 Sheldrick GM (2008) Acta Crystallogr A64:112--122 and 
 C. B. Hübschle, G. M. Sheldrick and B. Dittrich
 ShelXle: a Qt graphical user interface for SHELXL
 J. Appl. Cryst., 44, (2011) 1281-1284.
;
_computing_structure_solution
; 
 SHELXT
 Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39304
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         3.328
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    7.442
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_description       plate
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.606
_exptl_crystal_size_mid          0.211
_exptl_crystal_size_min          0.087
_refine_diff_density_max         1.484
_refine_diff_density_min         -2.054
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0256P)²+7.1655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0676
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7096
_reflns_number_total             8218
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04325h2.cif
_cod_data_source_block           s21uh8
_cod_depositor_comments
'Adding full bibliography for 7715294--7715303.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7715296
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.093
_shelx_estimated_absorpt_t_max   0.564
_oxdiff_exptl_absorpt_empirical_full_min 0.609
_oxdiff_exptl_absorpt_empirical_full_max 1.942
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.96457(2) 0.45687(2) 0.60528(2) 0.01268(5) Uani 1 1 d . . . . .
C1 C 1.1134(4) 0.4297(3) 0.5419(2) 0.0140(9) Uani 1 1 d . . . . .
C2 C 1.2475(4) 0.4014(3) 0.5737(2) 0.0140(9) Uani 1 1 d . . . . .
C3 C 1.3422(4) 0.4423(3) 0.6211(2) 0.0188(10) Uani 1 1 d . . . . .
H3 H 1.322114 0.490133 0.632897 0.023 Uiso 1 1 calc R U . . .
C4 C 1.4652(5) 0.4133(3) 0.6509(3) 0.0263(12) Uani 1 1 d . . . . .
H4 H 1.529511 0.441660 0.682423 0.032 Uiso 1 1 calc R U . . .
C5 C 1.4951(5) 0.3441(3) 0.6353(3) 0.0276(12) Uani 1 1 d . . . . .
H5 H 1.579364 0.324428 0.656398 0.033 Uiso 1 1 calc R U . . .
C6 C 1.4024(5) 0.3028(3) 0.5890(3) 0.0276(12) Uani 1 1 d . . . . .
H6 H 1.422570 0.254725 0.578281 0.033 Uiso 1 1 calc R U . . .
C7 C 1.2798(5) 0.3319(3) 0.5581(2) 0.0210(10) Uani 1 1 d . . . . .
H7 H 1.216856 0.303538 0.525765 0.025 Uiso 1 1 calc R U . . .
C8 C 0.9999(4) 0.3836(3) 0.5206(2) 0.0129(9) Uani 1 1 d . . . . .
H8 H 1.002259 0.329847 0.524386 0.015 Uiso 1 1 calc R U . . .
C9 C 0.8839(4) 0.4250(3) 0.4910(2) 0.0132(9) Uani 1 1 d . . . . .
C10 C 0.7541(4) 0.3907(3) 0.4602(2) 0.0144(9) Uani 1 1 d . . . . .
C11 C 0.7511(5) 0.3291(3) 0.4181(2) 0.0210(10) Uani 1 1 d . . . . .
H11 H 0.830723 0.310247 0.409160 0.025 Uiso 1 1 calc R U . . .
C12 C 0.6322(5) 0.2952(3) 0.3893(3) 0.0277(12) Uani 1 1 d . . . . .
H12 H 0.630742 0.253346 0.360509 0.033 Uiso 1 1 calc R U . . .
C13 C 0.5157(5) 0.3218(3) 0.4020(3) 0.0289(13) Uani 1 1 d . . . . .
H13 H 0.434395 0.298414 0.381978 0.035 Uiso 1 1 calc R U . . .
C14 C 0.5184(5) 0.3821(3) 0.4438(3) 0.0260(12) Uani 1 1 d . . . . .
H14 H 0.438558 0.400087 0.453236 0.031 Uiso 1 1 calc R U . . .
C15 C 0.6365(5) 0.4170(3) 0.4725(3) 0.0207(10) Uani 1 1 d . . . . .
H15 H 0.636789 0.459180 0.500724 0.025 Uiso 1 1 calc R U . . .
C16 C 0.9296(4) 0.4981(3) 0.4840(2) 0.0138(9) Uani 1 1 d . . . . .
C17 C 0.8102(4) 0.4274(3) 0.6537(2) 0.0157(10) Uani 1 1 d . . . . .
H17 H 0.739028 0.398580 0.621837 0.019 Uiso 1 1 calc R U . . .
C18 C 0.8033(5) 0.5025(3) 0.6387(2) 0.0210(11) Uani 1 1 d . . . . .
H18 H 0.728249 0.516419 0.598137 0.025 Uiso 1 1 calc R U . . .
C19 C 0.8415(6) 0.5599(3) 0.6955(3) 0.0316(13) Uani 1 1 d . . . . .
H19A H 0.775765 0.560993 0.725618 0.038 Uiso 1 1 calc R U . . .
H19B H 0.840136 0.607475 0.671816 0.038 Uiso 1 1 calc R U . . .
C20 C 0.9787(6) 0.5469(3) 0.7435(3) 0.0306(13) Uani 1 1 d . . . . .
H20A H 1.020278 0.593746 0.760104 0.037 Uiso 1 1 calc R U . . .
H20B H 0.970380 0.518961 0.786457 0.037 Uiso 1 1 calc R U . . .
C21 C 1.0655(5) 0.5060(3) 0.7032(2) 0.0241(12) Uani 1 1 d . . . . .
H21 H 1.148041 0.532064 0.699879 0.029 Uiso 1 1 calc R U . . .
C22 C 1.0787(4) 0.4297(3) 0.7073(2) 0.0213(11) Uani 1 1 d . . . . .
H22 H 1.169241 0.411815 0.706979 0.026 Uiso 1 1 calc R U . . .
C23 C 1.0041(5) 0.3826(3) 0.7499(2) 0.0220(11) Uani 1 1 d . . . . .
H23A H 1.038551 0.391541 0.801966 0.026 Uiso 1 1 calc R U . . .
H23B H 1.019970 0.331246 0.740509 0.026 Uiso 1 1 calc R U . . .
C24 C 0.8548(5) 0.3974(3) 0.7303(2) 0.0223(11) Uani 1 1 d . . . . .
H24A H 0.806621 0.352039 0.734134 0.027 Uiso 1 1 calc R U . . .
H24B H 0.832607 0.432335 0.764900 0.027 Uiso 1 1 calc R U . . .
Ir2 Ir 0.92537(2) 0.08467(2) 0.56574(2) 0.01431(5) Uani 1 1 d . . . . .
C31 C 0.9362(4) 0.0815(3) 0.4507(2) 0.0156(9) Uani 1 1 d . . . . .
C32 C 0.9543(4) 0.1416(3) 0.4035(2) 0.0156(10) Uani 1 1 d . . . . .
C33 C 1.0554(5) 0.1917(3) 0.4226(2) 0.0225(11) Uani 1 1 d . . . . .
H33 H 1.113486 0.189395 0.468836 0.027 Uiso 1 1 calc R U . . .
C34 C 1.0720(6) 0.2453(3) 0.3743(3) 0.0311(13) Uani 1 1 d . . . . .
H34 H 1.142378 0.278837 0.387259 0.037 Uiso 1 1 calc R U . . .
C35 C 0.9855(6) 0.2494(3) 0.3073(3) 0.0313(13) Uani 1 1 d . . . . .
H35 H 0.996025 0.286344 0.274562 0.038 Uiso 1 1 calc R U . . .
C36 C 0.8852(5) 0.2006(3) 0.2883(3) 0.0290(12) Uani 1 1 d . . . . .
H36 H 0.826230 0.203542 0.242312 0.035 Uiso 1 1 calc R U . . .
C37 C 0.8694(5) 0.1469(3) 0.3358(2) 0.0226(11) Uani 1 1 d . . . . .
H37 H 0.799579 0.113127 0.322095 0.027 Uiso 1 1 calc R U . . .
C38 C 0.8103(4) 0.0544(3) 0.4573(2) 0.0166(10) Uani 1 1 d . . . . .
H38 H 0.723290 0.075862 0.433154 0.020 Uiso 1 1 calc R U . . .
C39 C 0.8263(4) -0.0088(3) 0.5015(2) 0.0145(9) Uani 1 1 d . . . . .
C40 C 0.7147(4) -0.0530(3) 0.5117(2) 0.0155(9) Uani 1 1 d . . . . .
C41 C 0.6094(5) -0.0643(3) 0.4534(3) 0.0286(12) Uani 1 1 d . . . . .
H41 H 0.609437 -0.042153 0.408605 0.034 Uiso 1 1 calc R U . . .
C42 C 0.5044(5) -0.1075(3) 0.4598(4) 0.0396(15) Uani 1 1 d . . . . .
H42 H 0.432241 -0.113920 0.419680 0.048 Uiso 1 1 calc R U . . .
C43 C 0.5037(5) -0.1409(3) 0.5235(3) 0.0320(13) Uani 1 1 d . . . . .
H43 H 0.432040 -0.171160 0.527479 0.038 Uiso 1 1 calc R U . . .
C44 C 0.6077(6) -0.1305(3) 0.5819(3) 0.0311(13) Uani 1 1 d . . . . .
H44 H 0.607727 -0.153963 0.626173 0.037 Uiso 1 1 calc R U . . .
C45 C 0.7117(5) -0.0863(3) 0.5766(3) 0.0243(11) Uani 1 1 d . . . . .
H45 H 0.781729 -0.078629 0.617570 0.029 Uiso 1 1 calc R U . . .
C46 C 0.9668(4) -0.0274(2) 0.5154(2) 0.0129(9) Uani 1 1 d . . . . .
C47 C 0.8288(5) 0.0908(3) 0.6522(2) 0.0218(11) Uani 1 1 d . . . . .
H47 H 0.750057 0.058581 0.646818 0.026 Uiso 1 1 calc R U . . .
C48 C 0.9520(5) 0.0547(3) 0.6747(2) 0.0219(11) Uani 1 1 d . . . . .
H48 H 0.943125 0.001733 0.681903 0.026 Uiso 1 1 calc R U . . .
C49 C 1.0757(5) 0.0873(3) 0.7227(3) 0.0292(13) Uani 1 1 d . . . . .
H49A H 1.151503 0.054661 0.724057 0.035 Uiso 1 1 calc R U . . .
H49B H 1.063056 0.091995 0.772368 0.035 Uiso 1 1 calc R U . . .
C50 C 1.1061(5) 0.1611(3) 0.6954(3) 0.0326(13) Uani 1 1 d . . . . .
H50A H 1.202629 0.169316 0.708268 0.039 Uiso 1 1 calc R U . . .
H50B H 1.063922 0.198893 0.719133 0.039 Uiso 1 1 calc R U . . .
C51 C 1.0562(5) 0.1673(3) 0.6138(3) 0.0242(11) Uani 1 1 d . . . . .
H51 H 1.127007 0.178108 0.587671 0.029 Uiso 1 1 calc R U . . .
C52 C 0.9309(5) 0.1966(3) 0.5804(3) 0.0238(11) Uani 1 1 d . . . . .
H52 H 0.930703 0.224426 0.535492 0.029 Uiso 1 1 calc R U . . .
C53 C 0.8313(6) 0.2227(3) 0.6205(3) 0.0302(13) Uani 1 1 d . . . . .
H53A H 0.747037 0.232942 0.585704 0.036 Uiso 1 1 calc R U . . .
H53B H 0.863083 0.268250 0.645515 0.036 Uiso 1 1 calc R U . . .
C54 C 0.8065(5) 0.1676(3) 0.6757(3) 0.0287(12) Uani 1 1 d . . . . .
H54A H 0.866784 0.177415 0.722946 0.034 Uiso 1 1 calc R U . . .
H54B H 0.714745 0.172477 0.681442 0.034 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 25 -2 0.0355
-5 -25 2 0.0497
0 -19 18 0.2065
-5 1 -23 0.3395
0 1 26 0.2334
14 -2 -14 0.0901
-14 2 14 0.1009
15 -2 -3 0.1572
6 24 -4 0.0337
6 23 0 0.0570
7 -22 -7 0.0954
-2 -8 -24 0.2882
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C22 Ir1 C17 81.75(17) . . ?
C22 Ir1 C18 97.87(18) . . ?
C17 Ir1 C18 39.46(19) . . ?
C22 Ir1 C21 39.4(2) . . ?
C17 Ir1 C21 89.90(18) . . ?
C18 Ir1 C21 80.17(19) . . ?
C22 Ir1 C8 112.22(19) . . ?
C17 Ir1 C8 115.76(17) . . ?
C18 Ir1 C8 138.40(17) . . ?
C21 Ir1 C8 140.89(18) . . ?
C22 Ir1 C1 97.65(17) . . ?
C17 Ir1 C1 151.14(18) . . ?
C18 Ir1 C1 162.99(18) . . ?
C21 Ir1 C1 107.99(18) . . ?
C8 Ir1 C1 37.86(15) . . ?
C22 Ir1 C9 148.29(19) . . ?
C17 Ir1 C9 101.95(17) . . ?
C18 Ir1 C9 104.79(17) . . ?
C21 Ir1 C9 166.44(18) . . ?
C8 Ir1 C9 37.68(15) . . ?
C1 Ir1 C9 64.04(15) . . ?
C22 Ir1 C16 119.49(16) . 3_766 ?
C17 Ir1 C16 158.64(15) . 3_766 ?
C18 Ir1 C16 127.40(18) . 3_766 ?
C21 Ir1 C16 105.19(17) . 3_766 ?
C8 Ir1 C16 60.65(16) . 3_766 ?
C1 Ir1 C16 36.78(16) . 3_766 ?
C9 Ir1 C16 61.66(15) . 3_766 ?
C22 Ir1 C16 155.02(16) . . ?
C17 Ir1 C16 123.23(15) . . ?
C18 Ir1 C16 102.10(16) . . ?
C21 Ir1 C16 130.53(18) . . ?
C8 Ir1 C16 60.06(16) . . ?
C1 Ir1 C16 61.13(16) . . ?
C9 Ir1 C16 36.51(16) . . ?
C16 Ir1 C16 35.54(18) 3_766 . ?
C8 C1 C16 106.3(4) . 3_766 ?
C8 C1 C2 122.7(4) . . ?
C16 C1 C2 130.4(4) 3_766 . ?
C8 C1 Ir1 70.2(2) . . ?
C16 C1 Ir1 77.3(2) 3_766 . ?
C2 C1 Ir1 124.3(3) . . ?
C7 C2 C3 118.4(4) . . ?
C7 C2 C1 119.6(4) . . ?
C3 C2 C1 122.0(4) . . ?
C4 C3 C2 120.2(5) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 120.6(5) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.9(5) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C7 119.8(5) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C2 C7 C6 121.1(5) . . ?
C2 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C9 C8 C1 110.8(4) . . ?
C9 C8 Ir1 72.1(2) . . ?
C1 C8 Ir1 71.9(2) . . ?
C9 C8 H8 124.6 . . ?
C1 C8 H8 124.6 . . ?
Ir1 C8 H8 124.6 . . ?
C8 C9 C16 105.8(4) . . ?
C8 C9 C10 122.3(4) . . ?
C16 C9 C10 130.5(4) . . ?
C8 C9 Ir1 70.2(2) . . ?
C16 C9 Ir1 77.6(2) . . ?
C10 C9 Ir1 127.2(3) . . ?
C15 C10 C11 118.8(4) . . ?
C15 C10 C9 122.7(4) . . ?
C11 C10 C9 118.5(4) . . ?
C12 C11 C10 120.1(5) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.6(5) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C12 119.5(5) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 120.6(5) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C10 120.4(5) . . ?
C14 C15 H15 119.8 . . ?
C10 C15 H15 119.8 . . ?
C9 C16 C16 109.0(5) . 3_766 ?
C9 C16 C1 143.6(4) . 3_766 ?
C16 C16 C1 107.4(5) 3_766 3_766 ?
C9 C16 Ir1 127.4(3) . 3_766 ?
C16 C16 Ir1 72.4(3) 3_766 3_766 ?
C1 C16 Ir1 65.9(2) 3_766 3_766 ?
C9 C16 Ir1 65.9(2) . . ?
C16 C16 Ir1 72.1(3) 3_766 . ?
C1 C16 Ir1 126.1(3) 3_766 . ?
Ir1 C16 Ir1 144.46(18) 3_766 . ?
C18 C17 C24 122.7(4) . . ?
C18 C17 Ir1 70.4(2) . . ?
C24 C17 Ir1 114.8(3) . . ?
C18 C17 H17 113.9 . . ?
C24 C17 H17 113.9 . . ?
Ir1 C17 H17 113.9 . . ?
C17 C18 C19 123.7(4) . . ?
C17 C18 Ir1 70.1(3) . . ?
C19 C18 Ir1 113.8(3) . . ?
C17 C18 H18 113.9 . . ?
C19 C18 H18 113.9 . . ?
Ir1 C18 H18 113.9 . . ?
C18 C19 C20 112.1(4) . . ?
C18 C19 H19A 109.2 . . ?
C20 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
C20 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C21 C20 C19 110.9(4) . . ?
C21 C20 H20A 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 122.0(4) . . ?
C22 C21 Ir1 69.1(3) . . ?
C20 C21 Ir1 115.4(3) . . ?
C22 C21 H21 114.2 . . ?
C20 C21 H21 114.2 . . ?
Ir1 C21 H21 114.2 . . ?
C21 C22 C23 123.1(4) . . ?
C21 C22 Ir1 71.5(3) . . ?
C23 C22 Ir1 112.6(3) . . ?
C21 C22 H22 114.1 . . ?
C23 C22 H22 114.1 . . ?
Ir1 C22 H22 114.1 . . ?
C22 C23 C24 112.2(4) . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C17 C24 C23 111.4(4) . . ?
C17 C24 H24A 109.3 . . ?
C23 C24 H24A 109.3 . . ?
C17 C24 H24B 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
C52 Ir2 C48 97.8(2) . . ?
C52 Ir2 C51 39.5(2) . . ?
C48 Ir2 C51 80.6(2) . . ?
C52 Ir2 C47 81.2(2) . . ?
C48 Ir2 C47 39.28(19) . . ?
C51 Ir2 C47 89.80(19) . . ?
C52 Ir2 C38 111.63(19) . . ?
C48 Ir2 C38 140.94(19) . . ?
C51 Ir2 C38 138.26(18) . . ?
C47 Ir2 C38 119.32(18) . . ?
C52 Ir2 C31 98.71(18) . . ?
C48 Ir2 C31 160.31(19) . . ?
C51 Ir2 C31 105.91(18) . . ?
C47 Ir2 C31 155.30(18) . . ?
C38 Ir2 C31 37.72(16) . . ?
C52 Ir2 C39 146.87(18) . . ?
C48 Ir2 C39 106.09(18) . . ?
C51 Ir2 C39 166.07(18) . . ?
C47 Ir2 C39 103.12(18) . . ?
C38 Ir2 C39 37.54(16) . . ?
C31 Ir2 C39 63.83(16) . . ?
C52 Ir2 C46 122.04(17) . 3_756 ?
C48 Ir2 C46 123.59(17) . 3_756 ?
C51 Ir2 C46 104.77(17) . 3_756 ?
C47 Ir2 C46 156.07(18) . 3_756 ?
C38 Ir2 C46 60.62(16) . 3_756 ?
C31 Ir2 C46 37.11(16) . 3_756 ?
C39 Ir2 C46 61.32(15) . 3_756 ?
C52 Ir2 C46 157.16(17) . . ?
C48 Ir2 C46 100.00(17) . . ?
C51 Ir2 C46 130.75(18) . . ?
C47 Ir2 C46 121.59(18) . . ?
C38 Ir2 C46 60.53(16) . . ?
C31 Ir2 C46 61.46(16) . . ?
C39 Ir2 C46 36.96(15) . . ?
C46 Ir2 C46 35.2(2) 3_756 . ?
C38 C31 C46 105.8(4) . 3_756 ?
C38 C31 C32 124.4(4) . . ?
C46 C31 C32 128.1(4) 3_756 . ?
C38 C31 Ir2 70.8(2) . . ?
C46 C31 Ir2 76.6(2) 3_756 . ?
C32 C31 Ir2 128.8(3) . . ?
C33 C32 C37 118.6(4) . . ?
C33 C32 C31 122.7(4) . . ?
C37 C32 C31 118.7(4) . . ?
C32 C33 C34 120.3(5) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C35 C34 C33 119.8(5) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 120.2(5) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C35 C36 C37 120.1(5) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C32 121.0(5) . . ?
C36 C37 H37 119.5 . . ?
C32 C37 H37 119.5 . . ?
C39 C38 C31 110.7(4) . . ?
C39 C38 Ir2 72.0(2) . . ?
C31 C38 Ir2 71.5(2) . . ?
C39 C38 H38 124.7 . . ?
C31 C38 H38 124.7 . . ?
Ir2 C38 H38 124.7 . . ?
C38 C39 C46 106.1(4) . . ?
C38 C39 C40 123.1(4) . . ?
C46 C39 C40 129.0(4) . . ?
C38 C39 Ir2 70.5(3) . . ?
C46 C39 Ir2 76.6(2) . . ?
C40 C39 Ir2 129.7(3) . . ?
C41 C40 C45 118.2(5) . . ?
C41 C40 C39 118.7(4) . . ?
C45 C40 C39 123.1(4) . . ?
C42 C41 C40 120.8(5) . . ?
C42 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C43 C42 C41 120.4(5) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 119.6(5) . . ?
C42 C43 H43 120.2 . . ?
C44 C43 H43 120.2 . . ?
C43 C44 C45 120.5(5) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C44 C45 C40 120.5(5) . . ?
C44 C45 H45 119.8 . . ?
C40 C45 H45 119.8 . . ?
C46 C46 C31 108.6(5) 3_756 3_756 ?
C46 C46 C39 108.3(5) 3_756 . ?
C31 C46 C39 143.1(4) 3_756 . ?
C46 C46 Ir2 72.7(3) 3_756 3_756 ?
C31 C46 Ir2 66.3(2) 3_756 3_756 ?
C39 C46 Ir2 126.2(3) . 3_756 ?
C46 C46 Ir2 72.1(3) 3_756 . ?
C31 C46 Ir2 126.3(3) 3_756 . ?
C39 C46 Ir2 66.4(2) . . ?
Ir2 C46 Ir2 144.83(19) 3_756 . ?
C48 C47 C54 122.4(5) . . ?
C48 C47 Ir2 69.9(3) . . ?
C54 C47 Ir2 114.1(3) . . ?
C48 C47 H47 114.3 . . ?
C54 C47 H47 114.3 . . ?
Ir2 C47 H47 114.3 . . ?
C47 C48 C49 125.1(5) . . ?
C47 C48 Ir2 70.8(3) . . ?
C49 C48 Ir2 113.0(3) . . ?
C47 C48 H48 113.5 . . ?
C49 C48 H48 113.5 . . ?
Ir2 C48 H48 113.5 . . ?
C48 C49 C50 111.3(4) . . ?
C48 C49 H49A 109.4 . . ?
C50 C49 H49A 109.4 . . ?
C48 C49 H49B 109.4 . . ?
C50 C49 H49B 109.4 . . ?
H49A C49 H49B 108.0 . . ?
C49 C50 C51 111.5(4) . . ?
C49 C50 H50A 109.3 . . ?
C51 C50 H50A 109.3 . . ?
C49 C50 H50B 109.3 . . ?
C51 C50 H50B 109.3 . . ?
H50A C50 H50B 108.0 . . ?
C52 C51 C50 123.3(5) . . ?
C52 C51 Ir2 69.5(3) . . ?
C50 C51 Ir2 115.0(4) . . ?
C52 C51 H51 113.9 . . ?
C50 C51 H51 113.9 . . ?
Ir2 C51 H51 113.9 . . ?
C51 C52 C53 124.3(4) . . ?
C51 C52 Ir2 71.0(3) . . ?
C53 C52 Ir2 112.7(4) . . ?
C51 C52 H52 113.8 . . ?
C53 C52 H52 113.8 . . ?
Ir2 C52 H52 113.8 . . ?
C52 C53 C54 112.3(4) . . ?
C52 C53 H53A 109.1 . . ?
C54 C53 H53A 109.1 . . ?
C52 C53 H53B 109.1 . . ?
C54 C53 H53B 109.1 . . ?
H53A C53 H53B 107.9 . . ?
C47 C54 C53 111.0(4) . . ?
C47 C54 H54A 109.4 . . ?
C53 C54 H54A 109.4 . . ?
C47 C54 H54B 109.4 . . ?
C53 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir1 C22 2.098(4) . ?
Ir1 C17 2.101(4) . ?
Ir1 C18 2.105(5) . ?
Ir1 C21 2.129(5) . ?
Ir1 C8 2.206(4) . ?
Ir1 C1 2.229(4) . ?
Ir1 C9 2.231(4) . ?
Ir1 C16 2.382(4) 3_766 ?
Ir1 C16 2.386(4) . ?
C1 C8 1.439(6) . ?
C1 C16 1.462(7) 3_766 ?
C1 C2 1.485(6) . ?
C2 C7 1.382(7) . ?
C2 C3 1.400(6) . ?
C3 C4 1.386(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(7) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.433(6) . ?
C8 H8 1.0000 . ?
C9 C16 1.454(6) . ?
C9 C10 1.487(6) . ?
C10 C15 1.387(6) . ?
C10 C11 1.394(7) . ?
C11 C12 1.384(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.371(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C16 1.455(8) 3_766 ?
C17 C18 1.420(7) . ?
C17 C24 1.535(6) . ?
C17 H17 1.0000 . ?
C18 C19 1.507(7) . ?
C18 H18 1.0000 . ?
C19 C20 1.530(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.518(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.424(7) . ?
C21 H21 1.0000 . ?
C22 C23 1.523(6) . ?
C22 H22 1.0000 . ?
C23 C24 1.538(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
Ir2 C52 2.094(5) . ?
Ir2 C48 2.110(4) . ?
Ir2 C51 2.115(5) . ?
Ir2 C47 2.122(4) . ?
Ir2 C38 2.215(4) . ?
Ir2 C31 2.225(4) . ?
Ir2 C39 2.235(4) . ?
Ir2 C46 2.363(4) 3_756 ?
Ir2 C46 2.371(4) . ?
C31 C38 1.435(6) . ?
C31 C46 1.466(6) 3_756 ?
C31 C32 1.472(6) . ?
C32 C33 1.389(7) . ?
C32 C37 1.392(6) . ?
C33 C34 1.393(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.389(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.368(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.383(7) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.432(6) . ?
C38 H38 1.0000 . ?
C39 C46 1.466(6) . ?
C39 C40 1.472(6) . ?
C40 C41 1.388(7) . ?
C40 C45 1.391(7) . ?
C41 C42 1.382(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.366(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.379(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.380(7) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C46 1.430(8) 3_756 ?
C47 C48 1.422(7) . ?
C47 C54 1.528(7) . ?
C47 H47 1.0000 . ?
C48 C49 1.524(7) . ?
C48 H48 1.0000 . ?
C49 C50 1.525(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.530(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.422(7) . ?
C51 H51 1.0000 . ?
C52 C53 1.503(7) . ?
C52 H52 1.0000 . ?
C53 C54 1.532(7) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C1 C2 C7 26.0(6) . . . . ?
C16 C1 C2 C7 -143.5(5) 3_766 . . . ?
Ir1 C1 C2 C7 113.1(4) . . . . ?
C8 C1 C2 C3 -151.9(4) . . . . ?
C16 C1 C2 C3 38.5(7) 3_766 . . . ?
Ir1 C1 C2 C3 -64.8(5) . . . . ?
C7 C2 C3 C4 0.5(7) . . . . ?
C1 C2 C3 C4 178.4(4) . . . . ?
C2 C3 C4 C5 -1.0(7) . . . . ?
C3 C4 C5 C6 0.6(8) . . . . ?
C4 C5 C6 C7 0.3(8) . . . . ?
C3 C2 C7 C6 0.5(7) . . . . ?
C1 C2 C7 C6 -177.5(4) . . . . ?
C5 C6 C7 C2 -0.9(7) . . . . ?
C16 C1 C8 C9 -7.6(5) 3_766 . . . ?
C2 C1 C8 C9 -179.3(4) . . . . ?
Ir1 C1 C8 C9 62.0(3) . . . . ?
C16 C1 C8 Ir1 -69.6(3) 3_766 . . . ?
C2 C1 C8 Ir1 118.7(4) . . . . ?
C1 C8 C9 C16 8.3(5) . . . . ?
Ir1 C8 C9 C16 70.1(3) . . . . ?
C1 C8 C9 C10 175.9(4) . . . . ?
Ir1 C8 C9 C10 -122.2(4) . . . . ?
C1 C8 C9 Ir1 -61.9(3) . . . . ?
C8 C9 C10 C15 138.1(5) . . . . ?
C16 C9 C10 C15 -57.6(7) . . . . ?
Ir1 C9 C10 C15 49.4(6) . . . . ?
C8 C9 C10 C11 -41.0(6) . . . . ?
C16 C9 C10 C11 123.4(5) . . . . ?
Ir1 C9 C10 C11 -129.6(4) . . . . ?
C15 C10 C11 C12 0.1(7) . . . . ?
C9 C10 C11 C12 179.2(4) . . . . ?
C10 C11 C12 C13 -0.2(8) . . . . ?
C11 C12 C13 C14 -0.2(8) . . . . ?
C12 C13 C14 C15 0.9(8) . . . . ?
C13 C14 C15 C10 -1.0(7) . . . . ?
C11 C10 C15 C14 0.5(7) . . . . ?
C9 C10 C15 C14 -178.5(4) . . . . ?
C8 C9 C16 C16 -5.6(5) . . . 3_766 ?
C10 C9 C16 C16 -171.9(5) . . . 3_766 ?
Ir1 C9 C16 C16 59.4(4) . . . 3_766 ?
C8 C9 C16 C1 176.2(5) . . . 3_766 ?
C10 C9 C16 C1 9.9(9) . . . 3_766 ?
Ir1 C9 C16 C1 -118.9(6) . . . 3_766 ?
C8 C9 C16 Ir1 76.3(4) . . . 3_766 ?
C10 C9 C16 Ir1 -90.0(5) . . . 3_766 ?
Ir1 C9 C16 Ir1 141.3(3) . . . 3_766 ?
C8 C9 C16 Ir1 -65.0(3) . . . . ?
C10 C9 C16 Ir1 128.7(5) . . . . ?
C24 C17 C18 C19 1.5(7) . . . . ?
Ir1 C17 C18 C19 -106.0(5) . . . . ?
C24 C17 C18 Ir1 107.5(4) . . . . ?
C17 C18 C19 C20 51.2(7) . . . . ?
Ir1 C18 C19 C20 -30.0(6) . . . . ?
C18 C19 C20 C21 28.2(6) . . . . ?
C19 C20 C21 C22 -94.8(6) . . . . ?
C19 C20 C21 Ir1 -14.5(6) . . . . ?
C20 C21 C22 C23 2.2(7) . . . . ?
Ir1 C21 C22 C23 -105.4(4) . . . . ?
C20 C21 C22 Ir1 107.6(4) . . . . ?
C21 C22 C23 C24 52.1(6) . . . . ?
Ir1 C22 C23 C24 -29.9(5) . . . . ?
C18 C17 C24 C23 -92.1(5) . . . . ?
Ir1 C17 C24 C23 -10.3(5) . . . . ?
C22 C23 C24 C17 25.7(6) . . . . ?
C38 C31 C32 C33 143.5(5) . . . . ?
C46 C31 C32 C33 -53.3(7) 3_756 . . . ?
Ir2 C31 C32 C33 51.3(6) . . . . ?
C38 C31 C32 C37 -38.8(7) . . . . ?
C46 C31 C32 C37 124.3(5) 3_756 . . . ?
Ir2 C31 C32 C37 -131.1(4) . . . . ?
C37 C32 C33 C34 -1.0(7) . . . . ?
C31 C32 C33 C34 176.7(5) . . . . ?
C32 C33 C34 C35 1.3(8) . . . . ?
C33 C34 C35 C36 -0.8(8) . . . . ?
C34 C35 C36 C37 0.1(9) . . . . ?
C35 C36 C37 C32 0.2(8) . . . . ?
C33 C32 C37 C36 0.3(7) . . . . ?
C31 C32 C37 C36 -177.5(5) . . . . ?
C46 C31 C38 C39 7.6(5) 3_756 . . . ?
C32 C31 C38 C39 173.8(4) . . . . ?
Ir2 C31 C38 C39 -61.7(3) . . . . ?
C46 C31 C38 Ir2 69.2(3) 3_756 . . . ?
C32 C31 C38 Ir2 -124.5(4) . . . . ?
C31 C38 C39 C46 -7.6(5) . . . . ?
Ir2 C38 C39 C46 -69.0(3) . . . . ?
C31 C38 C39 C40 -173.3(4) . . . . ?
Ir2 C38 C39 C40 125.3(4) . . . . ?
C31 C38 C39 Ir2 61.4(3) . . . . ?
C38 C39 C40 C41 38.5(7) . . . . ?
C46 C39 C40 C41 -123.8(5) . . . . ?
Ir2 C39 C40 C41 129.7(4) . . . . ?
C38 C39 C40 C45 -144.0(5) . . . . ?
C46 C39 C40 C45 53.8(7) . . . . ?
Ir2 C39 C40 C45 -52.7(6) . . . . ?
C45 C40 C41 C42 0.1(8) . . . . ?
C39 C40 C41 C42 177.8(5) . . . . ?
C40 C41 C42 C43 -1.3(9) . . . . ?
C41 C42 C43 C44 1.0(9) . . . . ?
C42 C43 C44 C45 0.4(9) . . . . ?
C43 C44 C45 C40 -1.6(8) . . . . ?
C41 C40 C45 C44 1.3(8) . . . . ?
C39 C40 C45 C44 -176.3(5) . . . . ?
C38 C39 C46 C46 4.6(6) . . . 3_756 ?
C40 C39 C46 C46 169.1(4) . . . 3_756 ?
Ir2 C39 C46 C46 -60.2(4) . . . 3_756 ?
C38 C39 C46 C31 -175.5(6) . . . 3_756 ?
C40 C39 C46 C31 -10.9(9) . . . 3_756 ?
Ir2 C39 C46 C31 119.7(6) . . . 3_756 ?
C38 C39 C46 Ir2 -77.1(4) . . . 3_756 ?
C40 C39 C46 Ir2 87.5(5) . . . 3_756 ?
Ir2 C39 C46 Ir2 -141.8(3) . . . 3_756 ?
C38 C39 C46 Ir2 64.8(3) . . . . ?
C40 C39 C46 Ir2 -130.7(5) . . . . ?
C54 C47 C48 C49 -1.3(7) . . . . ?
Ir2 C47 C48 C49 105.2(5) . . . . ?
C54 C47 C48 Ir2 -106.5(4) . . . . ?
C47 C48 C49 C50 -49.9(7) . . . . ?
Ir2 C48 C49 C50 32.2(5) . . . . ?
C48 C49 C50 C51 -28.8(6) . . . . ?
C49 C50 C51 C52 94.1(6) . . . . ?
C49 C50 C51 Ir2 13.1(6) . . . . ?
C50 C51 C52 C53 -2.0(8) . . . . ?
Ir2 C51 C52 C53 105.1(5) . . . . ?
C50 C51 C52 Ir2 -107.1(5) . . . . ?
C51 C52 C53 C54 -49.5(7) . . . . ?
Ir2 C52 C53 C54 32.4(5) . . . . ?
C48 C47 C54 C53 93.5(6) . . . . ?
Ir2 C47 C54 C53 12.8(6) . . . . ?
C52 C53 C54 C47 -28.9(6) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
4.5040 24.9051 -2.3573 0.9667 -0.2316 0.1086
-4.5359 -24.8894 2.1954 -0.9659 0.2315 -0.1156
0.2341 -18.5821 18.3354 -0.7379 0.1759 0.6516
-4.7452 0.9538 -22.7683 0.0597 -0.0131 -0.9981
0.3709 1.3338 25.9949 0.0091 0.3166 0.9485
13.8048 -2.3743 -14.3631 -0.0256 -0.9996 0.0106
-13.9417 2.3545 13.6870 0.0256 0.9989 -0.0401
14.5594 -1.8866 -3.4934 -0.0227 -0.9025 0.4301
5.7957 23.9903 -4.0681 0.9385 -0.3316 0.0958
6.4880 23.3102 0.0686 0.9078 -0.3206 0.2703
7.1969 -22.4723 -6.8973 -0.8238 -0.5668 0.0089
-2.2464 -8.1610 -23.6184 -0.2788 -0.1933 -0.9407
